SCHEMBL6896466

SCHEMBL6896466

CC(C)Cc1nc(-c2ccc(OCCC(C)Nc3ccncc3)cc2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 7/20 0.51
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CCR4 P51679 1/20 0.35
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
PTGS2 P35354 1/20 0.32
CXCR1 P25024 1/20 0.32
IKBKB O14920 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NAMPT P43490 1/20 0.31
LARS1 Q9P2J5 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1284194 0.88 AGER (0.53) AGERHRH2HRH1HRH3MAPT
SCHEMBL1283049 0.86 AGER (0.52) AGERPTGS2IKBKB
SCHEMBL1283498 0.83 AGER (0.55) AGERHRH2HRH1HRH3MAPT
SCHEMBL1283344 0.83 AGER (0.55) AGERHRH2HRH1HRH3MAPT
SCHEMBL1282765 0.82 AGER (0.60) AGERMAPTLMNASMN1; SMN2NPC1
SCHEMBL1283977 0.82 HRH3 (0.55) AGERHRH2HRH1HRH3PTGS2
SCHEMBL1283677 0.81 AGER (0.57) AGERHRH2HRH1HRH3LMNA
SCHEMBL1283836 0.78 AGER (0.78) AGERHRH3CXCR1IKBKB
SCHEMBL1283582 0.78 AGER (0.72) AGERPTGS2CYP2D6CYP2C9
SCHEMBL1283673 0.78 AGER (0.57) AGERMAPTLMNASMN1; SMN2NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-04-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B AGER 1/4885HRH2 1626/4885HRH1 1623/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.